2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile

C20H19FN4O2S — CID 133391513

IUPAC2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile
SMILESCc1sc2nc(CN3CCOCC3)nc(Oc3cccc(F)c3C#N)c2c1C
InChIInChI=1S/C20H19FN4O2S/c1-12-13(2)28-20-18(12)19(27-16-5-3-4-15(21)14(16)10-22)23-17(24-20)11-25-6-8-26-9-7-25/h3-5H,6-9,11H2,1-2H3
InChIKeyNHNYKNXECLHRKK-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.94
Rot. Bonds4

About 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile

2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile (PubChem CID 133391513) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile
PubChem CID133391513
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile
SMILESCc1sc2nc(CN3CCOCC3)nc(Oc3cccc(F)c3C#N)c2c1C
InChIInChI=1S/C20H19FN4O2S/c1-12-13(2)28-20-18(12)19(27-16-5-3-4-15(21)14(16)10-22)23-17(24-20)11-25-6-8-26-9-7-25/h3-5H,6-9,11H2,1-2H3
InChIKeyNHNYKNXECLHRKK-UHFFFAOYSA-N
XLogP3.94
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile with MolForge

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Related Compounds

2-fluoro-6-[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]oxy]benzonitrile
CID 133391514
4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
CID 4809338
N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 9112710
4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 30225587
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
N-[2-(2-methoxyphenoxy)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55829601
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 9327147
4-[[4-(3-methyl-2-nitrophenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 133391346
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile?
The IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile (CID 133391513) is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile is Cc1sc2nc(CN3CCOCC3)nc(Oc3cccc(F)c3C#N)c2c1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile?
The InChIKey is NHNYKNXECLHRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-12-13(2)28-20-18(12)19(27-16-5-3-4-15(21)14(16)10-22)23-17(24-20)11-25-6-8-26-9-7-25/h3-5H,6-9,11H2,1-2H3.
What are the key properties of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile?
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile has a molecular weight of 398.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile is sourced from PubChem (CID 133391513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).